SCHEMBL1355760

SCHEMBL1355760

COc1cc(C(=O)N[C@@H]2CC[C@H](NC(=O)c3ccc(O)c(OC)c3)C2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
HTT P42858 1/20 0.58
PTPN7 P35236 2/20 0.57
DUSP3 P51452 2/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 1/20 0.55
GRM5 P41594 4/20 0.53
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CNR2 P34972 1/20 0.48
MAPK14 Q16539 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HSD17B2 P37059 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9030135 0.89 PTPN7 (0.58) SLC22A6SLC22A8HTTPTPN7DUSP3
SCHEMBL16972143 0.85 PTPN7 (0.56) SLC22A6SLC22A8HTTPTPN7DUSP3
SCHEMBL18271231 0.85 PTPN7 (0.56) SLC22A6SLC22A8HTTPTPN7DUSP3
SCHEMBL1355687 0.83 HTT (0.58) SLC22A6SLC22A8HTTPTPN7DUSP3
SCHEMBL239375 0.82 MAPK14 (0.60) PTPN7DUSP3ALDH1A1HPGDLMNA
SCHEMBL2473674 0.82 MEN1 (0.65) ALDH1A1KMT2AMEN1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9639296 0.81 MEN1 (0.64) ALDH1A1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL2546256 0.78 MAPK14 (0.52) ALDH1A1MAPTKMT2AMEN1MAPK14
SCHEMBL13175579 0.78 HTR4 (0.46) KMT2AMEN1GRM5CYP2D6CYP2C9
SCHEMBL456358 0.77 MAPK14 (0.51) ALDH1A1KMT2AMEN1MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy KISS ROBERT (BE) 2011-11-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110280940-A1 Di-Vanilloyl And Tri-Vanilloyl Derivatives For Use In Anti-Cancer Therapy PSEN2, PSEN1, VHL SLC22A6 2419/4885SLC22A8 2037/4885HTT 41/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.